Y502-6420 Screening compound: 7-[(2-ethylbutanoyl)amino]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Y502-6420 Screening compound: 7-[(2-ethylbutanoyl)amino]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Y502-6420 Screening compound: 7-[(2-ethylbutanoyl)amino]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-6420
7-[(2-ethylbutanoyl)amino]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y502-6420

Molecular Formula

C17H22N4O4S3 (C17 H22 N4 O4 S3)

Compound Name

7-[(2-ethylbutanoyl)amino]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

IUPAC name

7-(2-ethylbutanamido)-3-{[(5-methyl-134-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES

CCC(CC)C(NC(C1SCC(CSc2nnc(C)s2)=C(C(O)=O)N11)C1=O)=O

InChI

InChI=1S/C17H22N4O4S3/c1-4-9(5-2)13(22)18-11-14(23)21-12(16(24)25)10(6-26-15(11)21)7-27-17-20-19-8(3)28-17/h9,11,15H,4-7H2,1-3H3,(H,18,22)(H,24,25)

InChI Key

PQSBHRORRXNBDK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.258

Distribution Coefficient, logD

-4.004

Water Solubility, LogSw

-1.77

Polar Surface Area

92.389

Acid Dissociation Constant (pKa)

2.81

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.82

References: we are preparing a list of scientific research reports with Y502-6420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-6420?
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What is the minimum amount of Y502-6420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-6420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-6420
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y502-6420 available by request